5-(1-methoxyethyl)-1,1,4,4-tetramethyl-7-(4-methylphenyl)-2,3-dihydroanthracene

C28H34O — CID 20709733

IUPAC5-(1-methoxyethyl)-1,1,4,4-tetramethyl-7-(4-methylphenyl)-2,3-dihydroanthracene
SMILESCOC(C)c1cc(-c2ccc(C)cc2)cc2cc3c(cc12)C(C)(C)CCC3(C)C
InChIInChI=1S/C28H34O/c1-18-8-10-20(11-9-18)21-14-22-16-25-26(28(5,6)13-12-27(25,3)4)17-24(22)23(15-21)19(2)29-7/h8-11,14-17,19H,12-13H2,1-7H3
InChIKeyFPXIYHUGZVKWQR-UHFFFAOYSA-N
MW386.58 g/mol
LogP7.87
Rot. Bonds3

About 5-(1-methoxyethyl)-1,1,4,4-tetramethyl-7-(4-methylphenyl)-2,3-dihydroanthracene

5-(1-methoxyethyl)-1,1,4,4-tetramethyl-7-(4-methylphenyl)-2,3-dihydroanthracene (PubChem CID 20709733) has the molecular formula C28H34O and a molecular weight of 386.58 g/mol. Its IUPAC name is 5-(1-methoxyethyl)-1,1,4,4-tetramethyl-7-(4-methylphenyl)-2,3-dihydroanthracene.

Molecular Properties

Compound Name5-(1-methoxyethyl)-1,1,4,4-tetramethyl-7-(4-methylphenyl)-2,3-dihydroanthracene
PubChem CID20709733
Molecular FormulaC28H34O
Molecular Weight386.58 g/mol
Exact Mass386.26
IUPAC Name5-(1-methoxyethyl)-1,1,4,4-tetramethyl-7-(4-methylphenyl)-2,3-dihydroanthracene
SMILESCOC(C)c1cc(-c2ccc(C)cc2)cc2cc3c(cc12)C(C)(C)CCC3(C)C
InChIInChI=1S/C28H34O/c1-18-8-10-20(11-9-18)21-14-22-16-25-26(28(5,6)13-12-27(25,3)4)17-24(22)23(15-21)19(2)29-7/h8-11,14-17,19H,12-13H2,1-7H3
InChIKeyFPXIYHUGZVKWQR-UHFFFAOYSA-N
XLogP7.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyethyl)-1,1,4,4-tetramethyl-7-(4-methylphenyl)-2,3-dihydroanthracene?
The IUPAC name of 5-(1-methoxyethyl)-1,1,4,4-tetramethyl-7-(4-methylphenyl)-2,3-dihydroanthracene (CID 20709733) is 5-(1-methoxyethyl)-1,1,4,4-tetramethyl-7-(4-methylphenyl)-2,3-dihydroanthracene.
What is the SMILES notation for 5-(1-methoxyethyl)-1,1,4,4-tetramethyl-7-(4-methylphenyl)-2,3-dihydroanthracene?
The canonical SMILES for 5-(1-methoxyethyl)-1,1,4,4-tetramethyl-7-(4-methylphenyl)-2,3-dihydroanthracene is COC(C)c1cc(-c2ccc(C)cc2)cc2cc3c(cc12)C(C)(C)CCC3(C)C.
What is the InChIKey of 5-(1-methoxyethyl)-1,1,4,4-tetramethyl-7-(4-methylphenyl)-2,3-dihydroanthracene?
The InChIKey is FPXIYHUGZVKWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O/c1-18-8-10-20(11-9-18)21-14-22-16-25-26(28(5,6)13-12-27(25,3)4)17-24(22)23(15-21)19(2)29-7/h8-11,14-17,19H,12-13H2,1-7H3.
What are the key properties of 5-(1-methoxyethyl)-1,1,4,4-tetramethyl-7-(4-methylphenyl)-2,3-dihydroanthracene?
5-(1-methoxyethyl)-1,1,4,4-tetramethyl-7-(4-methylphenyl)-2,3-dihydroanthracene has a molecular weight of 386.58 g/mol, XLogP of 7.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyethyl)-1,1,4,4-tetramethyl-7-(4-methylphenyl)-2,3-dihydroanthracene is sourced from PubChem (CID 20709733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).